# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6a85430e-c839-4a45-86d1-dd9c1ed7aa17/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Rb2MgH4 / Pnma (62) / materials id 643770](https://mdr.nims.go.jp/datasets/87bf7197-4123-4204-85d5-b8a9b2934d9c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.077075069999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.237692830000000, 0.000000000000000 ] # b - 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symbol: H # 94 coordinates: [ 0.997446240000000, 0.375000000000000, 0.920430320000000 ] mass: 1.007940 reduced_to: 93 - symbol: H # 95 coordinates: [ 0.497446240000000, 0.875000000000000, 0.920430320000000 ] mass: 1.007940 reduced_to: 93 - symbol: H # 96 coordinates: [ 0.997446240000000, 0.875000000000000, 0.920430320000000 ] mass: 1.007940 reduced_to: 93 - symbol: H # 97 coordinates: [ 0.343090595000000, 0.125000000000000, 0.924408100000000 ] mass: 1.007940 reduced_to: 97 - symbol: H # 98 coordinates: [ 0.843090595000000, 0.125000000000000, 0.924408100000000 ] mass: 1.007940 reduced_to: 97 - symbol: H # 99 coordinates: [ 0.343090595000000, 0.625000000000000, 0.924408100000000 ] mass: 1.007940 reduced_to: 97 - symbol: H # 100 coordinates: [ 0.843090595000000, 0.625000000000000, 0.924408100000000 ] mass: 1.007940 reduced_to: 97 - symbol: H # 101 coordinates: [ 0.093090595000000, 0.125000000000000, 0.575591900000000 ] mass: 1.007940 reduced_to: 101 - symbol: H # 102 coordinates: [ 0.593090595000000, 0.125000000000000, 0.575591900000000 ] mass: 1.007940 reduced_to: 101 - 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